SCHEMBL9755844

SCHEMBL9755844

NC(CCC[C@H](N)C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KIF11 P52732 6/20 0.50
GRM2 Q14416 1/20 0.49
GRM3 Q14832 1/20 0.49
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
GSR P00390 1/20 0.47
GRIK1 P39086 1/20 0.45
NOS1 P29475 2/20 0.44
LTA4H P09960 1/20 0.44
MDM2 Q00987 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10591572 1.00 POLB (0.51) POLBKMT2ATDP1KIF11GRM2
SCHEMBL10782936 0.92 KIF11 (0.53) POLBKMT2ATDP1KIF11GRM2
SCHEMBL11694404 0.86 GRM2 (0.41) POLBKMT2ATDP1KIF11GRM2
SCHEMBL9630987 0.85 GSR (0.47) POLBKMT2ATDP1ALPIPKM
SCHEMBL9755838 0.84 GRM8 (0.48) POLBKMT2ATDP1KIF11GSR
SCHEMBL10592278 0.84 GRM8 (0.48) POLBKMT2ATDP1KIF11GSR
SCHEMBL6823559 0.84 CES2 (0.47) POLBKIF11MDM2
SCHEMBL9631019 0.84 GSR (0.55) POLBKMT2ATDP1GSRLTA4H
SCHEMBL28258416 0.84 MDM2 (0.42) POLBKMT2ATDP1KIF11GRM2
SCHEMBL28992842 0.84 GSR (0.55) POLBKMT2ATDP1GSRLTA4H

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991019743-A2 COMBINED TREATMENT WITH GnRH ANTAGONIST AND GnRH TO CONTROL GONADOTROPIN LEVELS IN MAMMALS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 1991-12-26 WO disclosed
EP-0345990-A2 Polypeptide compounds ZENECA LIMITED (GB) 1989-12-13 EP disclosed